2-Hydroxycircumdatin C
AlkaPlorer ID: AK059864
Synonym: None
IUPAC Name: (7R)-2,3-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Structure
SMILES: C[C@H]1N=C(O)C2=CC(O)=C(O)C=C2N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C17H13N3O4/c1-8-15-19-11-5-3-2-4-9(11)17(24)20(15)12-7-14(22)13(21)6-10(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m1/s1
InChIKey: XLQDYOAHCASBGI-MRVPVSSYSA-N
Reference
Benzodiazepine Alkaloids from Marine‐Derived Endophytic Fungus <i>Aspergillus ochraceus</i>
PubChem CID: 139584272
LOTUS: LTS0164149
{NPAtlas: NPA004260
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 323.30800000000005
TPSA？: 107.94000000000004
MolLogP？: 2.1761
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|